(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide

C8H16FN3O3 — CID 144600499

IUPAC(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NC(C(=O)N(C)CF)[C@@H](C)O
InChIInChI=1S/C8H16FN3O3/c1-5(13)6(11-8(15)10-2)7(14)12(3)4-9/h5-6,13H,4H2,1-3H3,(H2,10,11,15)/t5-,6?/m1/s1
InChIKeyCBAHJPWVYMIGBH-LWOQYNTDSA-N
MW221.23 g/mol
LogP-0.95
Rot. Bonds4

About (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide

(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide (PubChem CID 144600499) has the molecular formula C8H16FN3O3 and a molecular weight of 221.23 g/mol. Its IUPAC name is (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide.

Molecular Properties

Compound Name(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide
PubChem CID144600499
Molecular FormulaC8H16FN3O3
Molecular Weight221.23 g/mol
Exact Mass221.12
IUPAC Name(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide
SMILESCNC(=O)NC(C(=O)N(C)CF)[C@@H](C)O
InChIInChI=1S/C8H16FN3O3/c1-5(13)6(11-8(15)10-2)7(14)12(3)4-9/h5-6,13H,4H2,1-3H3,(H2,10,11,15)/t5-,6?/m1/s1
InChIKeyCBAHJPWVYMIGBH-LWOQYNTDSA-N
XLogP-0.95
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide?
The IUPAC name of (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide (CID 144600499) is (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide.
What is the SMILES notation for (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide?
The canonical SMILES for (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide is CNC(=O)NC(C(=O)N(C)CF)[C@@H](C)O.
What is the InChIKey of (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide?
The InChIKey is CBAHJPWVYMIGBH-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H16FN3O3/c1-5(13)6(11-8(15)10-2)7(14)12(3)4-9/h5-6,13H,4H2,1-3H3,(H2,10,11,15)/t5-,6?/m1/s1.
What are the key properties of (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide?
(3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide has a molecular weight of 221.23 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(fluoromethyl)-3-hydroxy-N-methyl-2-(methylcarbamoylamino)butanamide is sourced from PubChem (CID 144600499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).